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	hartrees
Energy at 0K	-503.137815
Energy at 298.15K	-503.146134
HF Energy	-503.137815
Nuclear repulsion energy	449.651369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3870	3494	0.00
2	A₁'	1944	1755	0.00
3	A₁'	1088	982	0.00
4	A₁'	728	657	0.00
5	A₂'	1592	1437	0.00
6	A₂'	1419	1281	0.00
7	A₂'	690	623	0.00
8	A₂"	988	892	686.40
9	A₂"	764	690	156.42
10	A₂"	201	182	14.39
11	E'	3866	3491	202.10
11	E'	3866	3491	202.10
12	E'	1936	1748	1194.87
12	E'	1936	1748	1194.87
13	E'	1594	1439	186.29
13	E'	1594	1439	186.29
14	E'	1565	1413	288.83
14	E'	1565	1413	288.83
15	E'	1134	1024	8.13
15	E'	1134	1024	8.13
16	E'	577	521	31.72
16	E'	577	521	31.72
17	E'	426	384	38.16
17	E'	426	384	38.16
18	E"	891	804	0.00
18	E"	891	804	0.00
19	E"	751	678	0.00
19	E"	751	678	0.00
20	E"	198	179	0.00
20	E"	198	179	0.00

Atom	x (Å)	y (Å)
C1	1.227	0.709
C2	-1.227	0.709
C3	0.000	-1.417
N4	0.000	1.332
N5	-1.154	-0.666
N6	1.154	-0.666
O7	2.278	1.315
O8	-2.278	1.315
O9	0.000	-2.631
H10	0.000	2.328
H11	-2.016	-1.164
H12	2.016	-1.164

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4547	2.4547	1.3768	2.7496	1.3768	1.2135	3.5578	3.5578	2.0318	3.7450	2.0318
C2	2.4547		2.4547	1.3768	1.3768	2.7496	3.5578	1.2135	3.5578	2.0318	2.0318	3.7450
C3	2.4547	2.4547		2.7496	1.3768	1.3768	3.5578	3.5578	1.2135	3.7450	2.0318	2.0318
N4	1.3768	1.3768	2.7496		2.3078	2.3078	2.2784	2.2784	3.9632	0.9954	3.2086	3.2086
N5	2.7496	1.3768	1.3768	2.3078		2.3078	3.9632	2.2784	2.2784	3.2086	0.9954	3.2086
N6	1.3768	2.7496	1.3768	2.3078	2.3078		2.2784	3.9632	2.2784	3.2086	3.2086	0.9954
O7	1.2135	3.5578	3.5578	2.2784	3.9632	2.2784		4.5566	4.5566	2.4931	4.9585	2.4931
O8	3.5578	1.2135	3.5578	2.2784	2.2784	3.9632	4.5566		4.5566	2.4931	2.4931	4.9585
O9	3.5578	3.5578	1.2135	3.9632	2.2784	2.2784	4.5566	4.5566		4.9585	2.4931	2.4931
H10	2.0318	2.0318	3.7450	0.9954	3.2086	3.2086	2.4931	2.4931	4.9585		4.0318	4.0318
H11	3.7450	2.0318	2.0318	3.2086	0.9954	3.2086	4.9585	2.4931	2.4931	4.0318		4.0318
H12	2.0318	3.7450	2.0318	3.2086	3.2086	0.9954	2.4931	4.9585	2.4931	4.0318	4.0318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.118	C1	N4	H10	116.941
C1	N6	C3	126.118	C1	N6	H12	116.941
C2	N4	H10	116.941	C2	N5	C3	126.118
C2	N5	H11	116.941	C3	N5	H11	116.941
C3	N6	H12	116.941	N4	C1	N6	113.882
N4	C1	O7	123.059	N4	C2	N5	113.882
N4	C2	O8	123.059	N5	C2	O8	123.059
N5	C3	N6	113.882	N5	C3	O9	123.059
N6	C1	O7	123.059	N6	C3	O9	123.059

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)

using model chemistry: HF/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H3N3O3 (cyanuric acid)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)